potassium 7-bromoheptyl(trifluoro)boranuide

C7H14BBrF3K — CID 169448352

IUPACpotassium 7-bromoheptyl(trifluoro)boranuide
SMILESF[B-](F)(F)CCCCCCCBr.[K+]
InChIInChI=1S/C7H14BBrF3.K/c9-7-5-3-1-2-4-6-8(10,11)12;/h1-7H2;/q-1;+1
InChIKeyBFJGGEUPMIDCJS-UHFFFAOYSA-N
MW285.00 g/mol
LogP1.18
Rot. Bonds7

About potassium 7-bromoheptyl(trifluoro)boranuide

potassium 7-bromoheptyl(trifluoro)boranuide (PubChem CID 169448352) has the molecular formula C7H14BBrF3K and a molecular weight of 285.00 g/mol. Its IUPAC name is potassium 7-bromoheptyl(trifluoro)boranuide.

Molecular Properties

Compound Namepotassium 7-bromoheptyl(trifluoro)boranuide
PubChem CID169448352
Molecular FormulaC7H14BBrF3K
Molecular Weight285.00 g/mol
Exact Mass284.00
IUPAC Namepotassium 7-bromoheptyl(trifluoro)boranuide
SMILESF[B-](F)(F)CCCCCCCBr.[K+]
InChIInChI=1S/C7H14BBrF3.K/c9-7-5-3-1-2-4-6-8(10,11)12;/h1-7H2;/q-1;+1
InChIKeyBFJGGEUPMIDCJS-UHFFFAOYSA-N
XLogP1.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.00
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 7-bromoheptyl(trifluoro)boranuide?
The IUPAC name of potassium 7-bromoheptyl(trifluoro)boranuide (CID 169448352) is potassium 7-bromoheptyl(trifluoro)boranuide.
What is the SMILES notation for potassium 7-bromoheptyl(trifluoro)boranuide?
The canonical SMILES for potassium 7-bromoheptyl(trifluoro)boranuide is F[B-](F)(F)CCCCCCCBr.[K+].
What is the InChIKey of potassium 7-bromoheptyl(trifluoro)boranuide?
The InChIKey is BFJGGEUPMIDCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BBrF3.K/c9-7-5-3-1-2-4-6-8(10,11)12;/h1-7H2;/q-1;+1.
What are the key properties of potassium 7-bromoheptyl(trifluoro)boranuide?
potassium 7-bromoheptyl(trifluoro)boranuide has a molecular weight of 285.00 g/mol, XLogP of 1.18, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 7-bromoheptyl(trifluoro)boranuide is sourced from PubChem (CID 169448352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).